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DOE OSTI · 2423219

A thermoelectric materials database auto-generated from the scientific literature using ChemDataExtractor

Sierepeklis, Odysseas·Cole, Jacqueline M.
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Abstract

An auto-generated thermoelectric-materials database is presented, containing 22,805 data records, automatically generated from the scientific literature, spanning 10,641 unique extracted chemical names. Each record contains a chemical entity and one of the seminal thermoelectric properties: thermoelectric figure of merit, ZT; thermal conductivity, κ; Seebeck coefficient, S; electrical conductivity, σ; power factor, PF; each linked to their corresponding recorded temperature, T. The database was auto-generated using the automatic sentence-parsing capabilities of the chemistry-aware, natural language processing toolkit, ChemDataExtractor 2.0, adapted for application in the thermoelectric-materials domain, following a rule-based sentence-simplification step. Data were mined from the text of 60,843 scientific papers that were sourced from three scientific publishers: Elsevier, the Royal Society of Chemistry, and Springer. To the best of our knowledge, this is the first automatically-generated database of thermoelectric materials and their properties from existing literature. The database was evaluated to have a precision of 82.25% and has been made publicly available to facilitate the application of data science in the thermoelectric-materials domain, for analysis, design, and prediction.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY96 KNOWLEDGE MANAGEMENT AND PRESERVATIONchemical physicscheminformaticsenergythermoelectrics

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Sierepeklis, Odysseas, Cole, Jacqueline M.. 2022-10-22. A thermoelectric materials database auto-generated from the scientific literature using ChemDataExtractor. https://doi.org/10.1038/s41597-022-01752-1

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